Information card for entry 1569980

Structure parameters

• Formula: C29 H35 B F2 N4 O
• Calculated formula: C29 H35 B F2 N4 O
• SMILES: F[B]1(F)N(=Nc2ccc(OCCCCCCCCCCCC)cc2)=C(c2[n]1c1c(cc2)cccc1)C#N
• Title of publication: Visible light activated energy storage in solid-state Azo-BF₂ switches.
• Authors of publication: Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 41
• Pages of publication: 11359 - 11364
• a: 7.9249 ± 0.0002 Å
• b: 11.3974 ± 0.0003 Å
• c: 16.0639 ± 0.0004 Å
• α: 98.41 ± 0.002°
• β: 102.69 ± 0.002°
• γ: 108.1 ± 0.002°
• Cell volume: 1308.96 ± 0.06 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2406
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No